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Existing evaluation benchmarks of language models of code (code LMs) focus almost exclusively on whether the LMs can generate functionally-correct code. In real-world software engineering, developers think beyond functional correctness. They have requirements on "how" a functionality should be implemented to meet overall system design objectives like efficiency, security, and maintainability. They would also trust the code LMs more if the LMs demonstrate robust understanding of requirements and code semantics. We propose a new benchmark NoFunEval to evaluate code LMs on non-functional requirements and simple classification instances for both functional and non-functional requirements. We propose a prompting method, Coding Concepts (CoCo), as a way for a developer to communicate the domain knowledge to the LMs. We conduct an extensive evaluation of twenty-two code LMs. Our finding is that they generally falter when tested on our benchmark, hinting at fundamental blindspots in their training setups. Surprisingly, even the classification accuracy on functional-correctness instances derived from the popular HumanEval benchmark is low, calling in question the depth of their comprehension and the source of their success in generating functionally-correct code in the first place. We will release our benchmark and evaluation scripts publicly at //aka.ms/NoFunEval.

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain knowledge. This paper provides a thorough exploration of the nuanced methodologies employed in integrating LLMs into the field of chemistry, delving into the complexities and innovations at this interdisciplinary juncture. Specifically, our analysis begins with examining how molecular information is fed into LLMs through various representation and tokenization methods. We then categorize chemical LLMs into three distinct groups based on the domain and modality of their input data, and discuss approaches for integrating these inputs for LLMs. Furthermore, this paper delves into the pretraining objectives with adaptations to chemical LLMs. After that, we explore the diverse applications of LLMs in chemistry, including novel paradigms for their application in chemistry tasks. Finally, we identify promising research directions, including further integration with chemical knowledge, advancements in continual learning, and improvements in model interpretability, paving the way for groundbreaking developments in the field.

Remarkable performance of large language models (LLMs) in a variety of tasks brings forth many opportunities as well as challenges of utilizing them in production settings. Towards practical adoption of LLMs, multi-agent systems hold great promise to augment, integrate, and orchestrate LLMs in the larger context of enterprise platforms that use existing proprietary data and models to tackle complex real-world tasks. Despite the tremendous success of these systems, current approaches rely on narrow, single-focus objectives for optimization and evaluation, often overlooking potential constraints in real-world scenarios, including restricted budgets, resources and time. Furthermore, interpreting, analyzing, and debugging these systems requires different components to be evaluated in relation to one another. This demand is currently not feasible with existing methodologies. In this postion paper, we introduce the concept of reasoning capacity as a unifying criterion to enable integration of constraints during optimization and establish connections among different components within the system, which also enable a more holistic and comprehensive approach to evaluation. We present a formal definition of reasoning capacity and illustrate its utility in identifying limitations within each component of the system. We then argue how these limitations can be addressed with a self-reflective process wherein human-feedback is used to alleviate shortcomings in reasoning and enhance overall consistency of the system.

JSON Schema is the de-facto standard schema language for JSON data. The language went through many minor revisions, but the most recent versions of the language added two novel features, dynamic references and annotation-dependent validation, that change the evaluation model. Modern JSON Schema is the name used to indicate all versions from Draft 2019-09, which are characterized by these new features, while Classical JSON Schema is used to indicate the previous versions. These new "modern" features make the schema language quite difficult to understand, and have generated many discussions about the correct interpretation of their official specifications; for this reason we undertook the task of their formalization. During this process, we also analyzed the complexity of data validation in Modern JSON Schema, with the idea of confirming the PTIME complexity of Classical JSON Schema validation, and we were surprised to discover a completely different truth: data validation, that is expected to be an extremely efficient process, acquires, with Modern JSON Schema features, a PSPACE complexity. In this paper, we give the first formal description of Modern JSON Schema, which we consider a central contribution of the work that we present here. We then prove that its data validation problem is PSPACE-complete. We prove that the origin of the problem lies in dynamic references, and not in annotation-dependent validation. We study the schema and data complexities, showing that the problem is PSPACE-complete with respect to the schema size even with a fixed instance, but is in PTIME when the schema is fixed and only the instance size is allowed to vary. Finally, we run experiments that show that there are families of schemas where the difference in asymptotic complexity between dynamic and static references is extremely visible, even with small schemas.

In patent prosecution, timely and effective responses to Office Actions (OAs) are crucial for acquiring patents, yet past automation and AI research have scarcely addressed this aspect. To address this gap, our study introduces the Patent Office Action Response Intelligence System (PARIS) and its advanced version, the Large Language Model Enhanced PARIS (LE-PARIS). These systems are designed to expedite the efficiency of patent attorneys in collaboratively handling OA responses. The systems' key features include the construction of an OA Topics Database, development of Response Templates, and implementation of Recommender Systems and LLM-based Response Generation. Our validation involves a multi-paradigmatic analysis using the USPTO Office Action database and longitudinal data of attorney interactions with our systems over six years. Through five studies, we examine the constructiveness of OA topics (studies 1 and 2) using topic modeling and the proposed Delphi process, the efficacy of our proposed hybrid recommender system tailored for OA (both LLM-based and non-LLM-based) (study 3), the quality of response generation (study 4), and the practical value of the systems in real-world scenarios via user studies (study 5). Results demonstrate that both PARIS and LE-PARIS significantly meet key metrics and positively impact attorney performance.

Mathematical reasoning serves as a cornerstone for assessing the fundamental cognitive capabilities of human intelligence. In recent times, there has been a notable surge in the development of Large Language Models (LLMs) geared towards the automated resolution of mathematical problems. However, the landscape of mathematical problem types is vast and varied, with LLM-oriented techniques undergoing evaluation across diverse datasets and settings. This diversity makes it challenging to discern the true advancements and obstacles within this burgeoning field. This survey endeavors to address four pivotal dimensions: i) a comprehensive exploration of the various mathematical problems and their corresponding datasets that have been investigated; ii) an examination of the spectrum of LLM-oriented techniques that have been proposed for mathematical problem-solving; iii) an overview of factors and concerns affecting LLMs in solving math; and iv) an elucidation of the persisting challenges within this domain. To the best of our knowledge, this survey stands as one of the first extensive examinations of the landscape of LLMs in the realm of mathematics, providing a holistic perspective on the current state, accomplishments, and future challenges in this rapidly evolving field.

Since the launch of ChatGPT, a powerful AI Chatbot developed by OpenAI, large language models (LLMs) have made significant advancements in both academia and industry, bringing about a fundamental engineering paradigm shift in many areas. While LLMs are powerful, it is also crucial to best use their power where "prompt'' plays a core role. However, the booming LLMs themselves, including excellent APIs like ChatGPT, have several inherent limitations: 1) temporal lag of training data, and 2) the lack of physical capabilities to perform external actions. Recently, we have observed the trend of utilizing prompt-based tools to better utilize the power of LLMs for downstream tasks, but a lack of systematic literature and standardized terminology, partly due to the rapid evolution of this field. Therefore, in this work, we survey related prompting tools and promote the concept of the "Prompting Framework" (PF), i.e. the framework for managing, simplifying, and facilitating interaction with large language models. We define the lifecycle of the PF as a hierarchical structure, from bottom to top, namely: Data Level, Base Level, Execute Level, and Service Level. We also systematically depict the overall landscape of the emerging PF field and discuss potential future research and challenges. To continuously track the developments in this area, we maintain a repository at //github.com/lxx0628/Prompting-Framework-Survey, which can be a useful resource sharing platform for both academic and industry in this field.

Knowledge Graph Embedding (KGE) aims to learn representations for entities and relations. Most KGE models have gained great success, especially on extrapolation scenarios. Specifically, given an unseen triple (h, r, t), a trained model can still correctly predict t from (h, r, ?), or h from (?, r, t), such extrapolation ability is impressive. However, most existing KGE works focus on the design of delicate triple modeling function, which mainly tells us how to measure the plausibility of observed triples, but offers limited explanation of why the methods can extrapolate to unseen data, and what are the important factors to help KGE extrapolate. Therefore in this work, we attempt to study the KGE extrapolation of two problems: 1. How does KGE extrapolate to unseen data? 2. How to design the KGE model with better extrapolation ability? For the problem 1, we first discuss the impact factors for extrapolation and from relation, entity and triple level respectively, propose three Semantic Evidences (SEs), which can be observed from train set and provide important semantic information for extrapolation. Then we verify the effectiveness of SEs through extensive experiments on several typical KGE methods. For the problem 2, to make better use of the three levels of SE, we propose a novel GNN-based KGE model, called Semantic Evidence aware Graph Neural Network (SE-GNN). In SE-GNN, each level of SE is modeled explicitly by the corresponding neighbor pattern, and merged sufficiently by the multi-layer aggregation, which contributes to obtaining more extrapolative knowledge representation. Finally, through extensive experiments on FB15k-237 and WN18RR datasets, we show that SE-GNN achieves state-of-the-art performance on Knowledge Graph Completion task and performs a better extrapolation ability.

Many tasks in natural language processing can be viewed as multi-label classification problems. However, most of the existing models are trained with the standard cross-entropy loss function and use a fixed prediction policy (e.g., a threshold of 0.5) for all the labels, which completely ignores the complexity and dependencies among different labels. In this paper, we propose a meta-learning method to capture these complex label dependencies. More specifically, our method utilizes a meta-learner to jointly learn the training policies and prediction policies for different labels. The training policies are then used to train the classifier with the cross-entropy loss function, and the prediction policies are further implemented for prediction. Experimental results on fine-grained entity typing and text classification demonstrate that our proposed method can obtain more accurate multi-label classification results.

Many natural language processing tasks solely rely on sparse dependencies between a few tokens in a sentence. Soft attention mechanisms show promising performance in modeling local/global dependencies by soft probabilities between every two tokens, but they are not effective and efficient when applied to long sentences. By contrast, hard attention mechanisms directly select a subset of tokens but are difficult and inefficient to train due to their combinatorial nature. In this paper, we integrate both soft and hard attention into one context fusion model, "reinforced self-attention (ReSA)", for the mutual benefit of each other. In ReSA, a hard attention trims a sequence for a soft self-attention to process, while the soft attention feeds reward signals back to facilitate the training of the hard one. For this purpose, we develop a novel hard attention called "reinforced sequence sampling (RSS)", selecting tokens in parallel and trained via policy gradient. Using two RSS modules, ReSA efficiently extracts the sparse dependencies between each pair of selected tokens. We finally propose an RNN/CNN-free sentence-encoding model, "reinforced self-attention network (ReSAN)", solely based on ReSA. It achieves state-of-the-art performance on both Stanford Natural Language Inference (SNLI) and Sentences Involving Compositional Knowledge (SICK) datasets.